4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one

C14H22O3 — CID 11770519

IUPAC4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1(CCOCOC)C=CC(=O)C(C)C1
InChIInChI=1S/C14H22O3/c1-4-6-14(8-9-17-11-16-3)7-5-13(15)12(2)10-14/h4-5,7,12H,1,6,8-11H2,2-3H3
InChIKeyJAVGTGRNYDJJNN-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.72
Rot. Bonds7

About 4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one

4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one (PubChem CID 11770519) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one
PubChem CID11770519
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1(CCOCOC)C=CC(=O)C(C)C1
InChIInChI=1S/C14H22O3/c1-4-6-14(8-9-17-11-16-3)7-5-13(15)12(2)10-14/h4-5,7,12H,1,6,8-11H2,2-3H3
InChIKeyJAVGTGRNYDJJNN-UHFFFAOYSA-N
XLogP2.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4aS,5S)-5-(methoxymethoxy)-3-methyl-4a-prop-2-enyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 10038451
(1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one
CID 11471632
(4S,5R,6S,7aR)-6-hydroxy-4-(methoxymethoxymethyl)-4,5-dimethyl-7a-prop-2-enyl-1,5,6,7-tetrahydroinden-2-one
CID 71484525
(4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one
CID 14395464
methyl (1'S,4'S,5'R)-5'-[2-(methoxymethoxy)ethyl]-4'-methyl-7'-prop-2-enoxyspiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-6'-carboxylate
CID 11199912
6-ethenyl-4,4-dimethylcyclohex-2-en-1-one
CID 18320097
trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one
CID 134963153
6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione
CID 56957642
5-nonyl-2-(4-nonyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxy-5-prop-2-enylcyclohexa-1,3-diene
CID 141102231
3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one
CID 11182979
2-[(1R,3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxymethyl)-3,4-dimethyl-2-oxo-1-prop-2-enylcyclohexyl]acetaldehyde
CID 101441308
(5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one
CID 102318467

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one?
The IUPAC name of 4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one (CID 11770519) is 4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one.
What is the SMILES notation for 4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one?
The canonical SMILES for 4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one is C=CCC1(CCOCOC)C=CC(=O)C(C)C1.
What is the InChIKey of 4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one?
The InChIKey is JAVGTGRNYDJJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-6-14(8-9-17-11-16-3)7-5-13(15)12(2)10-14/h4-5,7,12H,1,6,8-11H2,2-3H3.
What are the key properties of 4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one?
4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one has a molecular weight of 238.33 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one is sourced from PubChem (CID 11770519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).